input word = C00056231

Metabolite InformationStructural formula
Name Tripterygiumine C
Formula C48H51NO18
Mw 929.31061384
CAS RN 1616264-62-0
C_ID C00056231
InChIKey XGLPCYSLDZQARK-UHFFFAOYSA-N
InChICode InChI=1S/C48H51NO18/c1-24-25(2)41(54)66-38-36(64-42(55)30-16-11-9-12-17-30)40(63-29(6)53)47(23-59-26(3)50)39(62-28(5)52)35(61-27(4)51)33-37(65-43(56)31-18-13-10-14-19-31)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)c4ccccc4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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